Dehydrodidihydroeugenol

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  • Identifiers

    CAS number
    13991-42-9

    Molecular formula
    C20H26O4

    SMILES
    CCCC1=CC(=C(C(=C1)OC)O)C2=C(C(=CC(=C2)CCC)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 69.22%
    Phenolic 66.25%
    Smoky 50.36%
    Burnt 41.7%
    Woody 41.07%
    Balsamic 37.1%
    Vanilla 32.66%
    Clove 32.57%
    Leathery 30.38%
    Medicinal 30.36%

     

    Flavor
    Phenolic 45.8%
    Bitter 43.12%
    Spice 37.45%
    Spicy 34.27%
    Smoky 34.03%
    Medicinal 32.16%
    Woody 31.31%
    Bacon 28.86%
    Clove 28.6%
    Smoke 26.12%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    9.12 (weak base)

    Molecular weight
    330.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    550°C

    Flash point

    • 187.6 ˚C est.

  • Synonyms

    • Dehydrodidihydroeugenol
    • 13991-42-9
    • (1,1'-Biphenyl)-2,2'-diol, 3,3'-dimethoxy-5,5'-dipropyl-
    • CHEMBL407338
    • SCHEMBL8081097
    • SCHEMBL31351924
    • SCHEMBL31351925
    • DTXSID20930653
    • 3,3'-Dimethoxy-5,5'-dipropyl-[1,1'-biphenyl]-2,2'-diol
    • 2,2'-dihydroxy-3,3'-dimethoxy-5,5'-dipropylbiphenyl
    • 3,3'-Dimethoxy-5,5'-dipropyl[1,1'-biphenyl]-2,2'-diol
    • 13991-42-9

  • Applications

    Dehydrodidihydroeugenol (CAS 13991-42-9) is used as an intermediate and aroma component in fragrance chemistry, often serving as a building block for the synthesis of more complex scent molecules and as a potential fixative in perfumery. In polymers and coatings, it is evaluated as a precursor or functional modifier for specialty resins and aroma-containing formulations; in plastics and adhesives, it can act as a chemical modifier in formulation development. In cosmetics and personal care, it may be used as a fragrance ingredient, subject to regulatory limits. It may also be explored as a contributor to antioxidant or stabilizing formulations in polymer systems, depending on the specific formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 77.33
    methanol 66.39
    isopropanol 70.03
    water 0.1
    ethyl acetate 403.45
    n-propanol 103.46
    acetone 470.44
    n-butanol 99.37
    acetonitrile 147.07
    DMF 911.89
    toluene 107.08
    isobutanol 79.39
    1,4-dioxane 242.87
    methyl acetate 373.79
    THF 534.78
    2-butanone 355.28
    n-pentanol 68.28
    sec-butanol 87.82
    n-hexane 11.19
    ethylene glycol 28.53
    NMP 995.09
    cyclohexane 24.31
    DMSO 700.29
    n-butyl acetate 231.3
    n-octanol 32.38
    chloroform 728.93
    n-propyl acetate 188.96
    acetic acid 281.58
    dichloromethane 884.59
    cyclohexanone 572.77
    propylene glycol 47.0
    isopropyl acetate 251.36
    DMAc 788.62
    2-ethoxyethanol 173.57
    isopentanol 101.03
    n-heptane 7.07
    ethyl formate 178.16
    1,2-dichloroethane 790.68
    n-hexanol 81.75
    2-methoxyethanol 285.2
    isobutyl acetate 112.58
    tetrachloromethane 110.83
    n-pentyl acetate 156.59
    transcutol 402.19
    n-heptanol 48.28
    ethylbenzene 56.88
    MIBK 187.63
    2-propoxyethanol 208.88
    tert-butanol 122.08
    MTBE 192.45
    2-butoxyethanol 127.04
    propionic acid 206.71
    o-xylene 80.39
    formic acid 76.55
    diethyl ether 212.14
    m-xylene 77.71
    p-xylene 70.87
    chlorobenzene 256.43
    dimethyl carbonate 333.03
    n-octane 4.59
    formamide 220.31
    cyclopentanone 814.22
    2-pentanone 332.53
    anisole 141.85
    cyclopentyl methyl ether 310.08
    gamma-butyrolactone 906.27
    1-methoxy-2-propanol 249.9
    pyridine 372.64
    3-pentanone 303.57
    furfural 616.32
    n-dodecane 3.34
    diethylene glycol 156.93
    diisopropyl ether 71.8
    tert-amyl alcohol 130.8
    acetylacetone 535.27
    n-hexadecane 3.91
    acetophenone 193.68
    methyl propionate 425.68
    isopentyl acetate 209.72
    trichloroethylene 1378.65
    n-nonanol 34.74
    cyclohexanol 145.43
    benzyl alcohol 125.42
    2-ethylhexanol 62.39
    isooctanol 45.37
    dipropyl ether 82.03
    1,2-dichlorobenzene 283.4
    ethyl lactate 113.7
    propylene carbonate 456.84
    n-methylformamide 325.52
    2-pentanol 84.77
    n-pentane 12.13
    1-propoxy-2-propanol 140.83
    1-methoxy-2-propyl acetate 288.17
    2-(2-methoxypropoxy) propanol 115.44
    mesitylene 53.76
    ε-caprolactone 490.05
    p-cymene 44.8
    epichlorohydrin 946.89
    1,1,1-trichloroethane 527.91
    2-aminoethanol 58.8
    morpholine-4-carbaldehyde 644.23
    sulfolane 1143.35
    2,2,4-trimethylpentane 11.59
    2-methyltetrahydrofuran 336.41
    n-hexyl acetate 147.18
    isooctane 7.02
    2-(2-butoxyethoxy)ethanol 144.17
    sec-butyl acetate 136.87
    tert-butyl acetate 287.8
    decalin 15.78
    glycerin 95.46
    diglyme 340.35
    acrylic acid 230.58
    isopropyl myristate 51.15
    n-butyric acid 281.64
    acetyl acetate 336.38
    di(2-ethylhexyl) phthalate 62.59
    ethyl propionate 189.03
    nitromethane 795.36
    1,2-diethoxyethane 173.53
    benzonitrile 150.8
    trioctyl phosphate 48.34
    1-bromopropane 256.29
    gamma-valerolactone 849.24
    n-decanol 25.38
    triethyl phosphate 99.61
    4-methyl-2-pentanol 57.26
    propionitrile 144.32
    vinylene carbonate 400.0
    1,1,2-trichlorotrifluoroethane 694.55
    DMS 272.05
    cumene 43.52
    2-octanol 34.22
    2-hexanone 151.25
    octyl acetate 72.5
    limonene 71.0
    1,2-dimethoxyethane 289.07
    ethyl orthosilicate 91.66
    tributyl phosphate 62.51
    diacetone alcohol 274.39
    N,N-dimethylaniline 104.22
    acrylonitrile 240.3
    aniline 179.63
    1,3-propanediol 103.94
    bromobenzene 270.73
    dibromomethane 504.43
    1,1,2,2-tetrachloroethane 1017.69
    2-methyl-cyclohexyl acetate 136.86
    tetrabutyl urea 81.76
    diisobutyl methanol 40.95
    2-phenylethanol 127.41
    styrene 76.44
    dioctyl adipate 92.2
    dimethyl sulfate 628.71
    ethyl butyrate 150.37
    methyl lactate 222.29
    butyl lactate 111.47
    diethyl carbonate 119.42
    propanediol butyl ether 91.99
    triethyl orthoformate 115.96
    p-tert-butyltoluene 45.76
    methyl 4-tert-butylbenzoate 157.9
    morpholine 359.77
    tert-butylamine 68.11
    n-dodecanol 19.75
    dimethoxymethane 496.43
    ethylene carbonate 346.51
    cyrene 182.52
    2-ethoxyethyl acetate 244.42
    2-ethylhexyl acetate 164.53
    1,2,4-trichlorobenzene 343.22
    4-methylpyridine 328.69
    dibutyl ether 54.98
    2,6-dimethyl-4-heptanol 40.95
    DEF 494.18
    dimethyl isosorbide 280.85
    tetrachloroethylene 607.33
    eugenol 133.79
    triacetin 188.36
    span 80 97.65
    1,4-butanediol 43.5
    1,1-dichloroethane 496.86
    2-methyl-1-pentanol 81.78
    methyl formate 298.51
    2-methyl-1-butanol 101.85
    n-decane 5.65
    butyronitrile 120.85
    3,7-dimethyl-1-octanol 42.85
    1-chlorooctane 33.78
    1-chlorotetradecane 14.36
    n-nonane 5.09
    undecane 4.14
    tert-butylcyclohexane 12.52
    cyclooctane 8.56
    cyclopentanol 154.88
    tetrahydropyran 270.65
    tert-amyl methyl ether 172.53
    2,5,8-trioxanonane 206.92
    1-hexene 43.68
    2-isopropoxyethanol 127.94
    2,2,2-trifluoroethanol 178.72
    methyl butyrate 236.0

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction